N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide

C8H17NO4S — CID 63247384

IUPACN-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NCCCO
InChIInChI=1S/C8H17NO4S/c10-5-2-4-9-14(11,12)7-8-3-1-6-13-8/h8-10H,1-7H2
InChIKeyMWBAAOACNJPSPS-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.53
Rot. Bonds6

About N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide

N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63247384) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63247384
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC NameN-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NCCCO
InChIInChI=1S/C8H17NO4S/c10-5-2-4-9-14(11,12)7-8-3-1-6-13-8/h8-10H,1-7H2
InChIKeyMWBAAOACNJPSPS-UHFFFAOYSA-N
XLogP-0.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962
methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 62733314
N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
CID 114150936
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701
N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247487
N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115363119
N-(2,3-dihydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 66169492
N-[(1-hydroxycyclopentyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 65113198

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide (CID 63247384) is N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide is O=S(=O)(CC1CCCO1)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is MWBAAOACNJPSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c10-5-2-4-9-14(11,12)7-8-3-1-6-13-8/h8-10H,1-7H2.
What are the key properties of N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 223.29 g/mol, XLogP of -0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63247384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).