1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide

C15H28N2OS — CID 115442443

IUPAC1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NCC2CCCCS2)CC1
InChIInChI=1S/C15H28N2OS/c1-12-5-7-15(11-16,8-6-12)14(18)17-10-13-4-2-3-9-19-13/h12-13H,2-11,16H2,1H3,(H,17,18)
InChIKeyGSJWHLYRXGLTRE-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.54
Rot. Bonds4

About 1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide

1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 115442443) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID115442443
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NCC2CCCCS2)CC1
InChIInChI=1S/C15H28N2OS/c1-12-5-7-15(11-16,8-6-12)14(18)17-10-13-4-2-3-9-19-13/h12-13H,2-11,16H2,1H3,(H,17,18)
InChIKeyGSJWHLYRXGLTRE-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide
CID 113310485
1-(aminomethyl)-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 115442449
2-ethyl-N-(thian-2-ylmethyl)pyrrolidine-2-carboxamide
CID 83072987
1-(aminomethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 113310520
6-amino-N-(thian-2-ylmethyl)hexanamide
CID 80599983
(2S)-3-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-hydroxypropanoic acid
CID 107835899
1-(aminomethyl)-N-(3-hydroxybutyl)-4-methylcyclohexane-1-carboxamide
CID 113310530
1-(aminomethyl)-4-methyl-N-thiophen-3-ylcyclohexane-1-carboxamide
CID 113310541
1-(aminomethyl)-N-[(1,1-dioxothiolan-3-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 115441801
3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 80584709
2-oxo-2-(thian-2-ylmethylamino)acetic acid
CID 80613174
4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide
CID 80600778

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide (CID 115442443) is 1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)NCC2CCCCS2)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is GSJWHLYRXGLTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-12-5-7-15(11-16,8-6-12)14(18)17-10-13-4-2-3-9-19-13/h12-13H,2-11,16H2,1H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 284.47 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115442443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).