N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide

C10H22N2O3S — CID 103910287

IUPACN-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide
SMILESCC1CC(NCCCNS(C)(=O)=O)CCO1
InChIInChI=1S/C10H22N2O3S/c1-9-8-10(4-7-15-9)11-5-3-6-12-16(2,13)14/h9-12H,3-8H2,1-2H3
InChIKeyPDJOIEBFPYHZSF-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.08
Rot. Bonds6

About N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide

N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide (PubChem CID 103910287) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide
PubChem CID103910287
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide
SMILESCC1CC(NCCCNS(C)(=O)=O)CCO1
InChIInChI=1S/C10H22N2O3S/c1-9-8-10(4-7-15-9)11-5-3-6-12-16(2,13)14/h9-12H,3-8H2,1-2H3
InChIKeyPDJOIEBFPYHZSF-UHFFFAOYSA-N
XLogP0.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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-[3-[(3,5-dimethylcyclohexyl)amino]propyl]methanesulfonamide
CID 103827919
2-methyl-N-(3-propoxypropyl)oxan-4-amine
CID 82942441
N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide
CID 79393847
N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide
CID 106336440
N-(2-methyloxan-4-yl)ethanesulfonamide
CID 103887605
2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine
CID 115898630
2-methyl-4-(sulfamoylamino)oxane
CID 103887477
2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxan-4-amine
CID 79351790
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
CID 103910410
4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide
CID 114142692
3-[(2-methyloxan-4-yl)amino]propane-1,2-diol
CID 66177607
tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate
CID 103910604

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide (CID 103910287) is N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide is CC1CC(NCCCNS(C)(=O)=O)CCO1.
What is the InChIKey of N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide?
The InChIKey is PDJOIEBFPYHZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-9-8-10(4-7-15-9)11-5-3-6-12-16(2,13)14/h9-12H,3-8H2,1-2H3.
What are the key properties of N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide?
N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 103910287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).