(3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine

C12H24N2O3S — CID 99802194

IUPAC(3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine
SMILESC[C@@H]1COCC[C@@H]1NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-10-9-17-7-5-12(10)13-8-11-4-3-6-14(11)18(2,15)16/h10-13H,3-9H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeyPIHKDPHREDFUDD-UTUOFQBUSA-N
MW276.40 g/mol
LogP0.43
Rot. Bonds4

About (3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine

(3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine (PubChem CID 99802194) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is (3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine.

Molecular Properties

Compound Name(3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine
PubChem CID99802194
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name(3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine
SMILESC[C@@H]1COCC[C@@H]1NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-10-9-17-7-5-12(10)13-8-11-4-3-6-14(11)18(2,15)16/h10-13H,3-9H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeyPIHKDPHREDFUDD-UTUOFQBUSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120916417
N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 114075327
1-methylsulfonyl-2-propylpyrrolidine
CID 59852648
1-tert-butyl-3-[(1-methylsulfonylpyrrolidin-2-yl)methyl]urea
CID 110749992
4-[[(3-methyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 114240737
N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]prop-2-enamide
CID 146127051
1-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 127650721
[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl methanesulfonate
CID 18661066
N'-(3-methyloxan-4-yl)ethane-1,2-diamine
CID 130491324
(5R)-8-fluoro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 99820761
N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]pentanamide
CID 110750211
2-(3-bromopropyl)-1-methylsulfonylpyrrolidine
CID 80675195

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine?
The IUPAC name of (3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine (CID 99802194) is (3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine.
What is the SMILES notation for (3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine?
The canonical SMILES for (3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine is C[C@@H]1COCC[C@@H]1NC[C@H]1CCCN1S(C)(=O)=O.
What is the InChIKey of (3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine?
The InChIKey is PIHKDPHREDFUDD-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10-9-17-7-5-12(10)13-8-11-4-3-6-14(11)18(2,15)16/h10-13H,3-9H2,1-2H3/t10-,11-,12+/m1/s1.
What are the key properties of (3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine?
(3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine has a molecular weight of 276.40 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine is sourced from PubChem (CID 99802194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).