(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide

C14H26N2OS — CID 63681786

IUPAC(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N(C)CC1CC2CCC1C2
InChIInChI=1S/C14H26N2OS/c1-16(14(17)13(15)5-6-18-2)9-12-8-10-3-4-11(12)7-10/h10-13H,3-9,15H2,1-2H3/t10?,11?,12?,13-/m0/s1
InChIKeyVLDAGVIVJRIPQN-SKQCGHHBSA-N
MW270.44 g/mol
LogP1.96
Rot. Bonds6

About (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide

(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide (PubChem CID 63681786) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide
PubChem CID63681786
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N(C)CC1CC2CCC1C2
InChIInChI=1S/C14H26N2OS/c1-16(14(17)13(15)5-6-18-2)9-12-8-10-3-4-11(12)7-10/h10-13H,3-9,15H2,1-2H3/t10?,11?,12?,13-/m0/s1
InChIKeyVLDAGVIVJRIPQN-SKQCGHHBSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylpentanamide
CID 107569736
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide
CID 63683674
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3-phenylpropanamide
CID 63683339
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide
CID 107472164
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-N-methylbutanamide
CID 63681740
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbutanamide
CID 104908561
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide
CID 55231649
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyano-N,3-dimethylbutanamide
CID 55233234
(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide
CID 104908350
2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylsulfanylbutanamide
CID 76892242
(2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide
CID 61154669

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide (CID 63681786) is (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)N(C)CC1CC2CCC1C2.
What is the InChIKey of (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is VLDAGVIVJRIPQN-SKQCGHHBSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-16(14(17)13(15)5-6-18-2)9-12-8-10-3-4-11(12)7-10/h10-13H,3-9,15H2,1-2H3/t10?,11?,12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 270.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 63681786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).