2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide

C11H22N2O2S — CID 66225169

IUPAC2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide
SMILESCC(CN)CSCC(=O)NC1CCOCC1
InChIInChI=1S/C11H22N2O2S/c1-9(6-12)7-16-8-11(14)13-10-2-4-15-5-3-10/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeySORMMXORRHJGRN-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.61
Rot. Bonds6

About 2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide

2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide (PubChem CID 66225169) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide
PubChem CID66225169
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide
SMILESCC(CN)CSCC(=O)NC1CCOCC1
InChIInChI=1S/C11H22N2O2S/c1-9(6-12)7-16-8-11(14)13-10-2-4-15-5-3-10/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeySORMMXORRHJGRN-UHFFFAOYSA-N
XLogP0.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 66225184
N-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105990
N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105597
2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide
CID 66127875
2-(2-methylpropylamino)-N-(oxan-4-yl)acetamide
CID 63098322
3-amino-N-(oxan-4-yl)propanamide
CID 43610037
4-hydroxy-N-(oxan-4-yl)pentanamide
CID 79191727
N-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide
CID 98364272
4-amino-N-cyclobutyl-3-methylbutanamide
CID 81086885
2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide
CID 66234862
2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 43176432
2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 63098151

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide (CID 66225169) is 2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide is CC(CN)CSCC(=O)NC1CCOCC1.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide?
The InChIKey is SORMMXORRHJGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-9(6-12)7-16-8-11(14)13-10-2-4-15-5-3-10/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide?
2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide has a molecular weight of 246.38 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 66225169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).