1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide

C11H18N4OS — CID 79634834

IUPAC1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide
SMILESCn1cc(SC2CCCC(N)(C(N)=O)C2)cn1
InChIInChI=1S/C11H18N4OS/c1-15-7-9(6-14-15)17-8-3-2-4-11(13,5-8)10(12)16/h6-8H,2-5,13H2,1H3,(H2,12,16)
InChIKeyMPVDYFDRKJLFLN-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.64
Rot. Bonds3

About 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide

1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide (PubChem CID 79634834) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide
PubChem CID79634834
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide
SMILESCn1cc(SC2CCCC(N)(C(N)=O)C2)cn1
InChIInChI=1S/C11H18N4OS/c1-15-7-9(6-14-15)17-8-3-2-4-11(13,5-8)10(12)16/h6-8H,2-5,13H2,1H3,(H2,12,16)
InChIKeyMPVDYFDRKJLFLN-UHFFFAOYSA-N
XLogP0.64
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide
CID 79654187
1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide
CID 79635792
1-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxylic acid
CID 79634039
1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 113298762
1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 106925119
3-(1-methylpyrazol-4-yl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79653952
1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexane-1-carboxamide
CID 79634964
1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide
CID 79634807
1-amino-3-(4-methylpyrazol-1-yl)cyclohexane-1-carboxamide
CID 79637821
1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide
CID 79635164
1-amino-3-ethylsulfanylcyclohexane-1-carboxamide
CID 79638267
3-(1-methylpyrazol-4-yl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79649828

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide (CID 79634834) is 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide is Cn1cc(SC2CCCC(N)(C(N)=O)C2)cn1.
What is the InChIKey of 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide?
The InChIKey is MPVDYFDRKJLFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-15-7-9(6-14-15)17-8-3-2-4-11(13,5-8)10(12)16/h6-8H,2-5,13H2,1H3,(H2,12,16).
What are the key properties of 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide?
1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide is sourced from PubChem (CID 79634834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).