N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide

C11H21NO2S — CID 114630472

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C11H21NO2S/c1-7(2)15-6-10(14)12-8-5-9(13)11(8,3)4/h7-9,13H,5-6H2,1-4H3,(H,12,14)
InChIKeyIGQYTHNXZWXDPH-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.40
Rot. Bonds4

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide (PubChem CID 114630472) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide
PubChem CID114630472
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C11H21NO2S/c1-7(2)15-6-10(14)12-8-5-9(13)11(8,3)4/h7-9,13H,5-6H2,1-4H3,(H,12,14)
InChIKeyIGQYTHNXZWXDPH-UHFFFAOYSA-N
XLogP1.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutanamide
CID 114631068
2-(butan-2-ylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114629653
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114631231
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 114631067
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 114629316
5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
CID 114629795
(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 104940471
(2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104940473
2-(2,5-dioxoimidazolidin-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114631241
3-(ethylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114629835
2-(azetidin-3-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114629789
2-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethoxy]acetic acid
CID 114628859

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide (CID 114630472) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide is CC(C)SCC(=O)NC1CC(O)C1(C)C.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide?
The InChIKey is IGQYTHNXZWXDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-7(2)15-6-10(14)12-8-5-9(13)11(8,3)4/h7-9,13H,5-6H2,1-4H3,(H,12,14).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide has a molecular weight of 231.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 114630472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).