N-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide

C8H17NOS — CID 16724647

IUPACN-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide
SMILESCC(=O)N[C@H](CS)CC(C)C
InChIInChI=1S/C8H17NOS/c1-6(2)4-8(5-11)9-7(3)10/h6,8,11H,4-5H2,1-3H3,(H,9,10)/t8-/m0/s1
InChIKeyHQVRENRXDHRLKO-QMMMGPOBSA-N
MW175.30 g/mol
LogP1.47
Rot. Bonds4

About N-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide

N-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide (PubChem CID 16724647) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide
PubChem CID16724647
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide
SMILESCC(=O)N[C@H](CS)CC(C)C
InChIInChI=1S/C8H17NOS/c1-6(2)4-8(5-11)9-7(3)10/h6,8,11H,4-5H2,1-3H3,(H,9,10)/t8-/m0/s1
InChIKeyHQVRENRXDHRLKO-QMMMGPOBSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide?
The IUPAC name of N-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide (CID 16724647) is N-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide is CC(=O)N[C@H](CS)CC(C)C.
What is the InChIKey of N-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide?
The InChIKey is HQVRENRXDHRLKO-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NOS/c1-6(2)4-8(5-11)9-7(3)10/h6,8,11H,4-5H2,1-3H3,(H,9,10)/t8-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide?
N-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide has a molecular weight of 175.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide is sourced from PubChem (CID 16724647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).