N-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide

C11H21NOS — CID 130556652

IUPACN-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide
SMILESCC(C)C(S)C(=O)NC1CCC1(C)C
InChIInChI=1S/C11H21NOS/c1-7(2)9(14)10(13)12-8-5-6-11(8,3)4/h7-9,14H,5-6H2,1-4H3,(H,12,13)
InChIKeyROFADPHEHMCVPT-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.25
Rot. Bonds3

About N-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide

N-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide (PubChem CID 130556652) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide
PubChem CID130556652
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide
SMILESCC(C)C(S)C(=O)NC1CCC1(C)C
InChIInChI=1S/C11H21NOS/c1-7(2)9(14)10(13)12-8-5-6-11(8,3)4/h7-9,14H,5-6H2,1-4H3,(H,12,13)
InChIKeyROFADPHEHMCVPT-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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)-4-methyl-1-sulfanylpentan-2-yl]acetamide
CID 16724647
(2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide
CID 3078313
N-[2-(dimethylamino)spiro[3.3]heptan-6-yl]-3-sulfanylpropanamide
CID 177681192
2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide
CID 3078305
1,3,3-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 20614532
N-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide
CID 23104534
2,2-dimethyl-N-(2-sulfanylethyl)butanamide
CID 53714278
N-[4-(dimethylamino)-2-methyl-1-sulfanylpentyl]acetamide
CID 87431586
N-ethyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide
CID 87431587
N-[2-(dimethylamino)propyl]-2-(sulfanylmethyl)pentanamide
CID 87449462
N-[2-(tert-butyldisulfanyl)ethyl]-4,4-dimethylpentanamide
CID 88559041
N-methyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide
CID 88576698

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide?
The IUPAC name of N-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide (CID 130556652) is N-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide.
What is the SMILES notation for N-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide?
The canonical SMILES for N-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide is CC(C)C(S)C(=O)NC1CCC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide?
The InChIKey is ROFADPHEHMCVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-7(2)9(14)10(13)12-8-5-6-11(8,3)4/h7-9,14H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide?
N-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide has a molecular weight of 215.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclobutyl)-3-methyl-2-sulfanylbutanamide is sourced from PubChem (CID 130556652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).