N-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]methanesulfonamide

C9H22N2O3S — CID 121481163

IUPACN-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)N(CCCO)CCNS(C)(=O)=O
InChIInChI=1S/C9H22N2O3S/c1-9(2)11(6-4-8-12)7-5-10-15(3,13)14/h9-10,12H,4-8H2,1-3H3
InChIKeyAWLIKOHPFMJHND-UHFFFAOYSA-N
MW238.35 g/mol
LogP-0.37
Rot. Bonds8

About N-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]methanesulfonamide

N-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 121481163) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is N-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]methanesulfonamide
PubChem CID121481163
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC NameN-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]methanesulfonamide
SMILESCC(C)N(CCCO)CCNS(C)(=O)=O
InChIInChI=1S/C9H22N2O3S/c1-9(2)11(6-4-8-12)7-5-10-15(3,13)14/h9-10,12H,4-8H2,1-3H3
InChIKeyAWLIKOHPFMJHND-UHFFFAOYSA-N
XLogP-0.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]methanesulfonamide (CID 121481163) is N-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]methanesulfonamide is CC(C)N(CCCO)CCNS(C)(=O)=O.
What is the InChIKey of N-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is AWLIKOHPFMJHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-9(2)11(6-4-8-12)7-5-10-15(3,13)14/h9-10,12H,4-8H2,1-3H3.
What are the key properties of N-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 238.35 g/mol, XLogP of -0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-hydroxypropyl(propan-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 121481163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).