N-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide

C11H21NOS — CID 131177062

IUPACN-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide
SMILESCCC(S)C(=O)NC1CCCC1(C)C
InChIInChI=1S/C11H21NOS/c1-4-8(14)10(13)12-9-6-5-7-11(9,2)3/h8-9,14H,4-7H2,1-3H3,(H,12,13)
InChIKeyVQTQQEUPYILEBJ-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.39
Rot. Bonds3

About N-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide

N-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide (PubChem CID 131177062) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide
PubChem CID131177062
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide
SMILESCCC(S)C(=O)NC1CCCC1(C)C
InChIInChI=1S/C11H21NOS/c1-4-8(14)10(13)12-9-6-5-7-11(9,2)3/h8-9,14H,4-7H2,1-3H3,(H,12,13)
InChIKeyVQTQQEUPYILEBJ-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.39
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

(2R)-2-amino-N-(2,2-dimethylcyclohexyl)butanamide
CID 79878292
(2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide
CID 103831777
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)pentanamide
CID 79870952
N-(2,2-dimethylcyclopentyl)propanamide;ethane
CID 171523007
2-amino-N-(2,2-dimethylcyclohexyl)pentanamide
CID 79877969
N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide
CID 130556653
N-(2,2-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 79872938
3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
CID 79873237
2-chloro-N-(2,2-dimethylcyclopentyl)acetamide
CID 79872044
N-(2,2-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 79872575
4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid
CID 79878132
N-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide
CID 130556652

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide (CID 131177062) is N-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide is CCC(S)C(=O)NC1CCCC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide?
The InChIKey is VQTQQEUPYILEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-4-8(14)10(13)12-9-6-5-7-11(9,2)3/h8-9,14H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide?
N-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide has a molecular weight of 215.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide is sourced from PubChem (CID 131177062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).