N-[[6-[1-(propan-2-ylamino)cyclopropyl]-3-pyridinyl]methyl]methanesulfonamide

C13H21N3O2S — CID 58431057

IUPACN-[[6-[1-(propan-2-ylamino)cyclopropyl]-3-pyridinyl]methyl]methanesulfonamide
SMILESCC(C)NC1(c2ccc(CNS(C)(=O)=O)cn2)CC1
InChIInChI=1S/C13H21N3O2S/c1-10(2)16-13(6-7-13)12-5-4-11(8-14-12)9-15-19(3,17)18/h4-5,8,10,15-16H,6-7,9H2,1-3H3
InChIKeyIUSBLVCHVCGLOE-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.12
Rot. Bonds6

About N-[[6-[1-(propan-2-ylamino)cyclopropyl]-3-pyridinyl]methyl]methanesulfonamide

N-[[6-[1-(propan-2-ylamino)cyclopropyl]-3-pyridinyl]methyl]methanesulfonamide (PubChem CID 58431057) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[[6-[1-(propan-2-ylamino)cyclopropyl]-3-pyridinyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[6-[1-(propan-2-ylamino)cyclopropyl]-3-pyridinyl]methyl]methanesulfonamide
PubChem CID58431057
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[[6-[1-(propan-2-ylamino)cyclopropyl]-3-pyridinyl]methyl]methanesulfonamide
SMILESCC(C)NC1(c2ccc(CNS(C)(=O)=O)cn2)CC1
InChIInChI=1S/C13H21N3O2S/c1-10(2)16-13(6-7-13)12-5-4-11(8-14-12)9-15-19(3,17)18/h4-5,8,10,15-16H,6-7,9H2,1-3H3
InChIKeyIUSBLVCHVCGLOE-UHFFFAOYSA-N
XLogP1.12
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide
CID 57090435
N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide
CID 124988461
N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide
CID 119990191
1-amino-N-[4-(methanesulfonamidomethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119328489
N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 2800737
N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide
CID 106026792
1-[(2R)-2-(azepan-1-yl)-3-methylbutyl]-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea
CID 97078290
N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane
CID 143812055
CID 70601747
CID 70601747
methyl 5-[[[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]amino]methyl]pyridine-2-carboxylate
CID 164632857
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide
CID 122274631
N-[(4-butoxyphenyl)methyl]methanesulfonamide
CID 22246920

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-(propan-2-ylamino)cyclopropyl]-3-pyridinyl]methyl]methanesulfonamide?
The IUPAC name of N-[[6-[1-(propan-2-ylamino)cyclopropyl]-3-pyridinyl]methyl]methanesulfonamide (CID 58431057) is N-[[6-[1-(propan-2-ylamino)cyclopropyl]-3-pyridinyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[6-[1-(propan-2-ylamino)cyclopropyl]-3-pyridinyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[6-[1-(propan-2-ylamino)cyclopropyl]-3-pyridinyl]methyl]methanesulfonamide is CC(C)NC1(c2ccc(CNS(C)(=O)=O)cn2)CC1.
What is the InChIKey of N-[[6-[1-(propan-2-ylamino)cyclopropyl]-3-pyridinyl]methyl]methanesulfonamide?
The InChIKey is IUSBLVCHVCGLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10(2)16-13(6-7-13)12-5-4-11(8-14-12)9-15-19(3,17)18/h4-5,8,10,15-16H,6-7,9H2,1-3H3.
What are the key properties of N-[[6-[1-(propan-2-ylamino)cyclopropyl]-3-pyridinyl]methyl]methanesulfonamide?
N-[[6-[1-(propan-2-ylamino)cyclopropyl]-3-pyridinyl]methyl]methanesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-(propan-2-ylamino)cyclopropyl]-3-pyridinyl]methyl]methanesulfonamide is sourced from PubChem (CID 58431057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).