N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide

C15H25N5O3S — CID 119624053

IUPACN-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(=O)N2CCC(NCC3CC3)CC2)c1
InChIInChI=1S/C15H25N5O3S/c1-19-10-14(17-11-19)24(22,23)18-9-15(21)20-6-4-13(5-7-20)16-8-12-2-3-12/h10-13,16,18H,2-9H2,1H3
InChIKeyAKVSKVRCVYRJKY-UHFFFAOYSA-N
MW355.46 g/mol
LogP-0.31
Rot. Bonds7

About N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide

N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 119624053) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide
PubChem CID119624053
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC NameN-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(=O)N2CCC(NCC3CC3)CC2)c1
InChIInChI=1S/C15H25N5O3S/c1-19-10-14(17-11-19)24(22,23)18-9-15(21)20-6-4-13(5-7-20)16-8-12-2-3-12/h10-13,16,18H,2-9H2,1H3
InChIKeyAKVSKVRCVYRJKY-UHFFFAOYSA-N
XLogP-0.31
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]-1-methylimidazole-4-sulfonamide;hydrochloride
CID 119637781
N-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide
CID 136566388
5-chloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 119624431
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide
CID 97355129
3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 119622615
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 125435518
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 2810735
N-(2-bromo-2-cyclopropylethyl)-1-methylimidazole-4-sulfonamide
CID 114294580
N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 119625024
2-methyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62675882
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride
CID 119622481
2-(cyclopropylmethyl)-N-(1-methylimidazol-4-yl)sulfonyl-1,3-oxazole-4-carboxamide
CID 167911568

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide (CID 119624053) is N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC(=O)N2CCC(NCC3CC3)CC2)c1.
What is the InChIKey of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is AKVSKVRCVYRJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-19-10-14(17-11-19)24(22,23)18-9-15(21)20-6-4-13(5-7-20)16-8-12-2-3-12/h10-13,16,18H,2-9H2,1H3.
What are the key properties of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide?
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 119624053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).