N-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide

C12H24N2OS — CID 119404176

IUPACN-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)NCC1(N)CCCCC1
InChIInChI=1S/C12H24N2OS/c1-10(8-16-2)11(15)14-9-12(13)6-4-3-5-7-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyFPLBWQPDMRRPST-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.76
Rot. Bonds5

About N-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide

N-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide (PubChem CID 119404176) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide
PubChem CID119404176
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)NCC1(N)CCCCC1
InChIInChI=1S/C12H24N2OS/c1-10(8-16-2)11(15)14-9-12(13)6-4-3-5-7-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyFPLBWQPDMRRPST-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(1-aminocyclobutyl)methyl]propanamide
CID 130736337
N-[(1-aminocyclopentyl)methyl]-2,2-difluoroacetamide
CID 164661336
(1-aminocyclohexyl)methylurea
CID 61298669
N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyacetamide
CID 119404527
N-[(1-aminocyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 119404713
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65106819
N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyacetamide;hydrochloride
CID 119404526
N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide
CID 119404563
2-methyl-3-methylsulfanylpropanehydrazide
CID 63580360
2-amino-N-[(1-methylcyclohexyl)methyl]propanamide
CID 103798125
N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631
(2R)-2-amino-N-[(1-methylcyclohexyl)methyl]propanamide
CID 103798136

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide (CID 119404176) is N-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide is CSCC(C)C(=O)NCC1(N)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is FPLBWQPDMRRPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-10(8-16-2)11(15)14-9-12(13)6-4-3-5-7-12/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of N-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide?
N-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 244.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 119404176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).