N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide

C12H23NO2S — CID 115760042

IUPACN-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C12H23NO2S/c1-10(2)16-8-11(14)13(3)9-12(15)6-4-5-7-12/h10,15H,4-9H2,1-3H3
InChIKeyZXHBIZAOJJLCQO-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.89
Rot. Bonds5

About N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide

N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide (PubChem CID 115760042) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide
PubChem CID115760042
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C12H23NO2S/c1-10(2)16-8-11(14)13(3)9-12(15)6-4-5-7-12/h10,15H,4-9H2,1-3H3
InChIKeyZXHBIZAOJJLCQO-UHFFFAOYSA-N
XLogP1.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115760027
2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759779
(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 104985327
2-[acetyl(methyl)amino]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759885
4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499357
5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide
CID 114953852
2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid
CID 114948607
2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 115760056
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide
CID 115760608
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 115759947
N-[(1-hydroxycyclopentyl)methyl]-N-methylprop-2-ynamide
CID 115764401
ethyl 2-amino-3-[(1-hydroxycyclopentyl)methyl-methylamino]-3-oxopropanoate
CID 114949038

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide (CID 115760042) is N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide is CC(C)SCC(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide?
The InChIKey is ZXHBIZAOJJLCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-10(2)16-8-11(14)13(3)9-12(15)6-4-5-7-12/h10,15H,4-9H2,1-3H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide?
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide has a molecular weight of 245.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 115760042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).