N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide

C9H20N2O3S — CID 63246513

IUPACN-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCNCCCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H20N2O3S/c1-10-5-3-6-11-15(12,13)8-9-4-2-7-14-9/h9-11H,2-8H2,1H3
InChIKeyNOPPMEOGNUOLQF-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.31
Rot. Bonds7

About N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide

N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246513) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246513
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCNCCCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H20N2O3S/c1-10-5-3-6-11-15(12,13)8-9-4-2-7-14-9/h9-11H,2-8H2,1H3
InChIKeyNOPPMEOGNUOLQF-UHFFFAOYSA-N
XLogP-0.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.31
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-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247384
N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
CID 114150936
methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 62733314
N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide
CID 119973445
N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247487
N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115613323
N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide
CID 119042774
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide (CID 63246513) is N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide is CNCCCNS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is NOPPMEOGNUOLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-10-5-3-6-11-15(12,13)8-9-4-2-7-14-9/h9-11H,2-8H2,1H3.
What are the key properties of N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide?
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).