N-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide

C12H27N3O3S — CID 63858980

IUPACN-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCC(O)CN1CCCC1)NS(C)(=O)=O
InChIInChI=1S/C12H27N3O3S/c1-12(2,14-19(3,17)18)10-13-8-11(16)9-15-6-4-5-7-15/h11,13-14,16H,4-10H2,1-3H3
InChIKeyHKPHSZXLNOJMJN-UHFFFAOYSA-N
MW293.43 g/mol
LogP-0.64
Rot. Bonds8

About N-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63858980) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63858980
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC NameN-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCC(O)CN1CCCC1)NS(C)(=O)=O
InChIInChI=1S/C12H27N3O3S/c1-12(2,14-19(3,17)18)10-13-8-11(16)9-15-6-4-5-7-15/h11,13-14,16H,4-10H2,1-3H3
InChIKeyHKPHSZXLNOJMJN-UHFFFAOYSA-N
XLogP-0.64
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 106932132
3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol
CID 65111953
N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide
CID 115356372
N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63858455
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-1-ol
CID 60909717
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-N-methylacetamide
CID 60901241
1-(2-methylbutylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 62692013
N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide
CID 63859159
N-[2-methyl-1-[(1-methylpiperidin-3-yl)methylamino]propan-2-yl]methanesulfonamide
CID 63864960
N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide
CID 63859267
4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol
CID 66106831
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 63858980) is N-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNCC(O)CN1CCCC1)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is HKPHSZXLNOJMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-12(2,14-19(3,17)18)10-13-8-11(16)9-15-6-4-5-7-15/h11,13-14,16H,4-10H2,1-3H3.
What are the key properties of N-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 293.43 g/mol, XLogP of -0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63858980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).