N-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide

C11H17NO3S — CID 117360657

IUPACN-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cccc(CCCO)c1)S(C)(=O)=O
InChIInChI=1S/C11H17NO3S/c1-12(16(2,14)15)11-7-3-5-10(9-11)6-4-8-13/h3,5,7,9,13H,4,6,8H2,1-2H3
InChIKeyHGNIHPBBVSLBMQ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.01
Rot. Bonds5

About N-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide

N-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide (PubChem CID 117360657) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide
PubChem CID117360657
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cccc(CCCO)c1)S(C)(=O)=O
InChIInChI=1S/C11H17NO3S/c1-12(16(2,14)15)11-7-3-5-10(9-11)6-4-8-13/h3,5,7,9,13H,4,6,8H2,1-2H3
InChIKeyHGNIHPBBVSLBMQ-UHFFFAOYSA-N
XLogP1.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyano-N-[3-(3-hydroxypropyl)phenyl]acetamide
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CID 100607309
1-[3-(4-methoxyphenyl)propyl]-3-[3-[methyl(methylsulfonyl)amino]phenyl]thiourea
CID 100677505
3-(3-aminophenyl)propan-1-ol
CID 10103334
3-[3-(3-aminopropyl)phenyl]propan-1-ol
CID 42610454
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CID 139754880
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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide (CID 117360657) is N-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide is CN(c1cccc(CCCO)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is HGNIHPBBVSLBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-12(16(2,14)15)11-7-3-5-10(9-11)6-4-8-13/h3,5,7,9,13H,4,6,8H2,1-2H3.
What are the key properties of N-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide?
N-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 117360657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).