N-[(2S)-1-fluoro-3-sulfanylheptan-2-yl]acetamide

C9H18FNOS — CID 163910436

IUPACN-[(2S)-1-fluoro-3-sulfanylheptan-2-yl]acetamide
SMILESCCCCC(S)[C@H](CF)NC(C)=O
InChIInChI=1S/C9H18FNOS/c1-3-4-5-9(13)8(6-10)11-7(2)12/h8-9,13H,3-6H2,1-2H3,(H,11,12)/t8-,9?/m0/s1
InChIKeyQRPMAPLBYGEPKK-IENPIDJESA-N
MW207.31 g/mol
LogP1.95
Rot. Bonds6

About N-[(2S)-1-fluoro-3-sulfanylheptan-2-yl]acetamide

N-[(2S)-1-fluoro-3-sulfanylheptan-2-yl]acetamide (PubChem CID 163910436) has the molecular formula C9H18FNOS and a molecular weight of 207.31 g/mol. Its IUPAC name is N-[(2S)-1-fluoro-3-sulfanylheptan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-fluoro-3-sulfanylheptan-2-yl]acetamide
PubChem CID163910436
Molecular FormulaC9H18FNOS
Molecular Weight207.31 g/mol
Exact Mass207.11
IUPAC NameN-[(2S)-1-fluoro-3-sulfanylheptan-2-yl]acetamide
SMILESCCCCC(S)[C@H](CF)NC(C)=O
InChIInChI=1S/C9H18FNOS/c1-3-4-5-9(13)8(6-10)11-7(2)12/h8-9,13H,3-6H2,1-2H3,(H,11,12)/t8-,9?/m0/s1
InChIKeyQRPMAPLBYGEPKK-IENPIDJESA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide
CID 122599066
N-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide
CID 126694480
N-(6-ethyldecan-5-yl)acetamide
CID 88504383
N-hexan-2-ylacetamide;methane
CID 161054772
N-(1-fluorooctan-3-yl)acetamide
CID 45120198
(2R)-2-acetamidohexanoate
CID 6995105
N-(1,3-dihydroxypentadecan-2-yl)acetamide
CID 54071291
N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide
CID 21309749
fluoromethane;N-[(2R)-2-methylhexyl]acetamide
CID 145149419
N-(1-methylsulfanylhexan-2-yl)acetamide
CID 20559067
(2-acetamido-1-hydroxyoctadecan-3-yl) acetate
CID 74051984
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-fluoro-3-sulfanylheptan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-fluoro-3-sulfanylheptan-2-yl]acetamide (CID 163910436) is N-[(2S)-1-fluoro-3-sulfanylheptan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-fluoro-3-sulfanylheptan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-fluoro-3-sulfanylheptan-2-yl]acetamide is CCCCC(S)[C@H](CF)NC(C)=O.
What is the InChIKey of N-[(2S)-1-fluoro-3-sulfanylheptan-2-yl]acetamide?
The InChIKey is QRPMAPLBYGEPKK-IENPIDJESA-N. The full InChI is InChI=1S/C9H18FNOS/c1-3-4-5-9(13)8(6-10)11-7(2)12/h8-9,13H,3-6H2,1-2H3,(H,11,12)/t8-,9?/m0/s1.
What are the key properties of N-[(2S)-1-fluoro-3-sulfanylheptan-2-yl]acetamide?
N-[(2S)-1-fluoro-3-sulfanylheptan-2-yl]acetamide has a molecular weight of 207.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-fluoro-3-sulfanylheptan-2-yl]acetamide is sourced from PubChem (CID 163910436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).