N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(methanesulfonamidomethyl)morpholine-4-carboxamide

C16H27N5O4S — CID 166343196

IUPACN-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(methanesulfonamidomethyl)morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOC(CNS(C)(=O)=O)C2)nn1C(C)C1CC1
InChIInChI=1S/C16H27N5O4S/c1-11-8-15(19-21(11)12(2)13-4-5-13)18-16(22)20-6-7-25-14(10-20)9-17-26(3,23)24/h8,12-14,17H,4-7,9-10H2,1-3H3,(H,18,19,22)
InChIKeyICZJLBFJAZLIAK-UHFFFAOYSA-N
MW385.49 g/mol
LogP0.94
Rot. Bonds6

About N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(methanesulfonamidomethyl)morpholine-4-carboxamide

N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(methanesulfonamidomethyl)morpholine-4-carboxamide (PubChem CID 166343196) has the molecular formula C16H27N5O4S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(methanesulfonamidomethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(methanesulfonamidomethyl)morpholine-4-carboxamide
PubChem CID166343196
Molecular FormulaC16H27N5O4S
Molecular Weight385.49 g/mol
Exact Mass385.18
IUPAC NameN-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(methanesulfonamidomethyl)morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOC(CNS(C)(=O)=O)C2)nn1C(C)C1CC1
InChIInChI=1S/C16H27N5O4S/c1-11-8-15(19-21(11)12(2)13-4-5-13)18-16(22)20-6-7-25-14(10-20)9-17-26(3,23)24/h8,12-14,17H,4-7,9-10H2,1-3H3,(H,18,19,22)
InChIKeyICZJLBFJAZLIAK-UHFFFAOYSA-N
XLogP0.94
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid
CID 122089514
5-(cyanomethyl)-N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126838687
1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid
CID 71757852
1-[(1-butan-2-yl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102744
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 125435518
(2R)-2-(methylaminomethyl)morpholine-4-carboxylic acid
CID 138694205
2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66434845
2-methyl-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]propan-1-one
CID 139553521
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide
CID 61337014
2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 106340298
2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid
CID 79046066

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(methanesulfonamidomethyl)morpholine-4-carboxamide?
The IUPAC name of N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(methanesulfonamidomethyl)morpholine-4-carboxamide (CID 166343196) is N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(methanesulfonamidomethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(methanesulfonamidomethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(methanesulfonamidomethyl)morpholine-4-carboxamide is Cc1cc(NC(=O)N2CCOC(CNS(C)(=O)=O)C2)nn1C(C)C1CC1.
What is the InChIKey of N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(methanesulfonamidomethyl)morpholine-4-carboxamide?
The InChIKey is ICZJLBFJAZLIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O4S/c1-11-8-15(19-21(11)12(2)13-4-5-13)18-16(22)20-6-7-25-14(10-20)9-17-26(3,23)24/h8,12-14,17H,4-7,9-10H2,1-3H3,(H,18,19,22).
What are the key properties of N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(methanesulfonamidomethyl)morpholine-4-carboxamide?
N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(methanesulfonamidomethyl)morpholine-4-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-(methanesulfonamidomethyl)morpholine-4-carboxamide is sourced from PubChem (CID 166343196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).