N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide

C11H22N2O2S — CID 106247244

IUPACN-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide
SMILESCSCC(C)(O)CNCC(=O)N(C)C1CC1
InChIInChI=1S/C11H22N2O2S/c1-11(15,8-16-3)7-12-6-10(14)13(2)9-4-5-9/h9,12,15H,4-8H2,1-3H3
InChIKeyDDYUEPAJNXCVBR-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.31
Rot. Bonds7

About N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide

N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide (PubChem CID 106247244) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide
PubChem CID106247244
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide
SMILESCSCC(C)(O)CNCC(=O)N(C)C1CC1
InChIInChI=1S/C11H22N2O2S/c1-11(15,8-16-3)7-12-6-10(14)13(2)9-4-5-9/h9,12,15H,4-8H2,1-3H3
InChIKeyDDYUEPAJNXCVBR-UHFFFAOYSA-N
XLogP0.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylacetamide
CID 106147557
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide
CID 90522931
6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
CID 65289120
N-cyclopropyl-N-methyl-2-(2-methylbutan-2-ylamino)acetamide
CID 61488557
N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide
CID 113409928
N-cyclopropyl-2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62976669
2-(tert-butylamino)-N-cyclopentyl-N-methylacetamide
CID 78987089
N-cyclopropyl-N-methyl-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 55173315
tert-butyl 2-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106245978
1-(2-fluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246870
2-(cyclopropylmethylamino)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119689921
N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide
CID 79278136

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide (CID 106247244) is N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide is CSCC(C)(O)CNCC(=O)N(C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide?
The InChIKey is DDYUEPAJNXCVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-11(15,8-16-3)7-12-6-10(14)13(2)9-4-5-9/h9,12,15H,4-8H2,1-3H3.
What are the key properties of N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide?
N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide has a molecular weight of 246.38 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide is sourced from PubChem (CID 106247244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).