1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide

C11H18N6OS — CID 79634807

IUPAC1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide
SMILESNC(=O)C1(N)CCCC(Sc2nnnn2C2CC2)C1
InChIInChI=1S/C11H18N6OS/c12-9(18)11(13)5-1-2-8(6-11)19-10-14-15-16-17(10)7-3-4-7/h7-8H,1-6,13H2,(H2,12,18)
InChIKeySURYUALMFLOOKV-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.23
Rot. Bonds4

About 1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide

1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide (PubChem CID 79634807) has the molecular formula C11H18N6OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide
PubChem CID79634807
Molecular FormulaC11H18N6OS
Molecular Weight282.37 g/mol
Exact Mass282.13
IUPAC Name1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide
SMILESNC(=O)C1(N)CCCC(Sc2nnnn2C2CC2)C1
InChIInChI=1S/C11H18N6OS/c12-9(18)11(13)5-1-2-8(6-11)19-10-14-15-16-17(10)7-3-4-7/h7-8H,1-6,13H2,(H2,12,18)
InChIKeySURYUALMFLOOKV-UHFFFAOYSA-N
XLogP0.23
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate
CID 79633730
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79645467
1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide
CID 79634834
1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 113298762
1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexane-1-carboxamide
CID 79634964
1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide
CID 79635792
1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 106925119
1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide
CID 79635164
trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 102732760
1-amino-3-ethylsulfanylcyclohexane-1-carboxamide
CID 79638267
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-difluoroacetic acid
CID 81217649
1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide
CID 79656985

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide (CID 79634807) is 1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide is NC(=O)C1(N)CCCC(Sc2nnnn2C2CC2)C1.
What is the InChIKey of 1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide?
The InChIKey is SURYUALMFLOOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6OS/c12-9(18)11(13)5-1-2-8(6-11)19-10-14-15-16-17(10)7-3-4-7/h7-8H,1-6,13H2,(H2,12,18).
What are the key properties of 1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide?
1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide is sourced from PubChem (CID 79634807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).