(5S)-5-amino-1-thiophen-2-ylnonan-4-one

C13H21NOS — CID 15298316

IUPAC(5S)-5-amino-1-thiophen-2-ylnonan-4-one
SMILESCCCC[C@H](N)C(=O)CCCc1cccs1
InChIInChI=1S/C13H21NOS/c1-2-3-8-12(14)13(15)9-4-6-11-7-5-10-16-11/h5,7,10,12H,2-4,6,8-9,14H2,1H3/t12-/m0/s1
InChIKeyHKBXJBXBAXEEEI-LBPRGKRZSA-N
MW239.38 g/mol
LogP3.16
Rot. Bonds8

About (5S)-5-amino-1-thiophen-2-ylnonan-4-one

(5S)-5-amino-1-thiophen-2-ylnonan-4-one (PubChem CID 15298316) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is (5S)-5-amino-1-thiophen-2-ylnonan-4-one.

Molecular Properties

Compound Name(5S)-5-amino-1-thiophen-2-ylnonan-4-one
PubChem CID15298316
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name(5S)-5-amino-1-thiophen-2-ylnonan-4-one
SMILESCCCC[C@H](N)C(=O)CCCc1cccs1
InChIInChI=1S/C13H21NOS/c1-2-3-8-12(14)13(15)9-4-6-11-7-5-10-16-11/h5,7,10,12H,2-4,6,8-9,14H2,1H3/t12-/m0/s1
InChIKeyHKBXJBXBAXEEEI-LBPRGKRZSA-N
XLogP3.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one
CID 116551988
2-butylthiophene;methanamine
CID 143080300
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
ethane;2-pentylthiophene
CID 143883800
4-ethoxy-1-thiophen-2-ylheptan-3-one
CID 116707732
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
7-amino-1-thiophen-2-yloctan-3-one
CID 116610138
6-methyl-14-thiophen-2-yl-9-(2-thiophen-2-ylethyl)tetradecane-4,7,11-trione
CID 123396642
methane;2-undecylthiophene
CID 175504380
7-thiophen-2-ylheptan-3-amine
CID 64505571
8-thiophen-2-yloctan-4-ol
CID 64516293

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-1-thiophen-2-ylnonan-4-one?
The IUPAC name of (5S)-5-amino-1-thiophen-2-ylnonan-4-one (CID 15298316) is (5S)-5-amino-1-thiophen-2-ylnonan-4-one.
What is the SMILES notation for (5S)-5-amino-1-thiophen-2-ylnonan-4-one?
The canonical SMILES for (5S)-5-amino-1-thiophen-2-ylnonan-4-one is CCCC[C@H](N)C(=O)CCCc1cccs1.
What is the InChIKey of (5S)-5-amino-1-thiophen-2-ylnonan-4-one?
The InChIKey is HKBXJBXBAXEEEI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-3-8-12(14)13(15)9-4-6-11-7-5-10-16-11/h5,7,10,12H,2-4,6,8-9,14H2,1H3/t12-/m0/s1.
What are the key properties of (5S)-5-amino-1-thiophen-2-ylnonan-4-one?
(5S)-5-amino-1-thiophen-2-ylnonan-4-one has a molecular weight of 239.38 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-1-thiophen-2-ylnonan-4-one is sourced from PubChem (CID 15298316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).