N-[3-(oxan-3-ylamino)propyl]ethanesulfonamide

C10H22N2O3S — CID 115715071

IUPACN-[3-(oxan-3-ylamino)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCNC1CCCOC1
InChIInChI=1S/C10H22N2O3S/c1-2-16(13,14)12-7-4-6-11-10-5-3-8-15-9-10/h10-12H,2-9H2,1H3
InChIKeyAJBAKMFGZGHCKJ-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.08
Rot. Bonds7

About N-[3-(oxan-3-ylamino)propyl]ethanesulfonamide

N-[3-(oxan-3-ylamino)propyl]ethanesulfonamide (PubChem CID 115715071) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[3-(oxan-3-ylamino)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(oxan-3-ylamino)propyl]ethanesulfonamide
PubChem CID115715071
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[3-(oxan-3-ylamino)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCNC1CCCOC1
InChIInChI=1S/C10H22N2O3S/c1-2-16(13,14)12-7-4-6-11-10-5-3-8-15-9-10/h10-12H,2-9H2,1H3
InChIKeyAJBAKMFGZGHCKJ-UHFFFAOYSA-N
XLogP0.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.08
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-(oxan-3-yl)propane-1-sulfonamide
CID 63611666
4-(oxan-3-ylamino)butan-1-ol
CID 63363797
N-(5-methylsulfanylpentyl)oxan-3-amine
CID 104926386
N-(2-ethoxyethyl)oxan-3-amine
CID 63363906
3-(oxan-3-ylamino)propanoic acid
CID 63363556
ethyl 3-(oxan-3-ylamino)propanoate
CID 63363910
N-(oxan-3-yl)-4-(propylamino)butane-1-sulfonamide
CID 106065335
N-[3-(2-methylpropylsulfanyl)propyl]oxan-3-amine
CID 115896613
N-methyl-N'-(oxan-3-yl)methanediamine
CID 139447312
ethyl N-[2-(oxan-3-ylamino)ethyl]carbamate
CID 115889525
N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide
CID 110118014
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide
CID 125021480

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxan-3-ylamino)propyl]ethanesulfonamide?
The IUPAC name of N-[3-(oxan-3-ylamino)propyl]ethanesulfonamide (CID 115715071) is N-[3-(oxan-3-ylamino)propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(oxan-3-ylamino)propyl]ethanesulfonamide?
The canonical SMILES for N-[3-(oxan-3-ylamino)propyl]ethanesulfonamide is CCS(=O)(=O)NCCCNC1CCCOC1.
What is the InChIKey of N-[3-(oxan-3-ylamino)propyl]ethanesulfonamide?
The InChIKey is AJBAKMFGZGHCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-2-16(13,14)12-7-4-6-11-10-5-3-8-15-9-10/h10-12H,2-9H2,1H3.
What are the key properties of N-[3-(oxan-3-ylamino)propyl]ethanesulfonamide?
N-[3-(oxan-3-ylamino)propyl]ethanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxan-3-ylamino)propyl]ethanesulfonamide is sourced from PubChem (CID 115715071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).