N-(2,2-dimethylpropyl)-3-methyl-3-(oxan-4-ylmethylamino)butane-1-sulfonamide

C16H34N2O3S — CID 167291637

IUPACN-(2,2-dimethylpropyl)-3-methyl-3-(oxan-4-ylmethylamino)butane-1-sulfonamide
SMILESCC(C)(C)CNS(=O)(=O)CCC(C)(C)NCC1CCOCC1
InChIInChI=1S/C16H34N2O3S/c1-15(2,3)13-18-22(19,20)11-8-16(4,5)17-12-14-6-9-21-10-7-14/h14,17-18H,6-13H2,1-5H3
InChIKeyACKNPVXRDDZYKP-UHFFFAOYSA-N
MW334.53 g/mol
LogP2.14
Rot. Bonds8

About N-(2,2-dimethylpropyl)-3-methyl-3-(oxan-4-ylmethylamino)butane-1-sulfonamide

N-(2,2-dimethylpropyl)-3-methyl-3-(oxan-4-ylmethylamino)butane-1-sulfonamide (PubChem CID 167291637) has the molecular formula C16H34N2O3S and a molecular weight of 334.53 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-methyl-3-(oxan-4-ylmethylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-methyl-3-(oxan-4-ylmethylamino)butane-1-sulfonamide
PubChem CID167291637
Molecular FormulaC16H34N2O3S
Molecular Weight334.53 g/mol
Exact Mass334.23
IUPAC NameN-(2,2-dimethylpropyl)-3-methyl-3-(oxan-4-ylmethylamino)butane-1-sulfonamide
SMILESCC(C)(C)CNS(=O)(=O)CCC(C)(C)NCC1CCOCC1
InChIInChI=1S/C16H34N2O3S/c1-15(2,3)13-18-22(19,20)11-8-16(4,5)17-12-14-6-9-21-10-7-14/h14,17-18H,6-13H2,1-5H3
InChIKeyACKNPVXRDDZYKP-UHFFFAOYSA-N
XLogP2.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-(oxan-4-ylmethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 70645831
N-(oxan-4-ylmethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 70653507
N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide
CID 55031390
N-methyl-N-(oxan-4-ylmethyl)piperidine-4-sulfonamide
CID 55225683
N-methyl-N-(oxan-4-ylmethyl)-1-piperidin-2-ylmethanesulfonamide
CID 55225684
N-(4-methoxybutyl)-2-piperidin-4-ylethanesulfonamide
CID 61814401
N-(4-methoxybutyl)-1-piperidin-4-ylmethanesulfonamide
CID 61815257
N-[3-(aminomethyl)pentan-3-yl]-N-propyloxane-4-sulfonamide
CID 62050110
2-methylsulfonyl-N-(oxan-4-ylmethyl)ethanamine
CID 62384571
N-ethyl-N-[3-(oxan-4-ylmethylamino)propyl]methanesulfonamide
CID 62385679
N-(oxan-4-ylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 62386507
2-(Oxan-4-ylmethylamino)ethanesulfonamide
CID 62387014

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-methyl-3-(oxan-4-ylmethylamino)butane-1-sulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-methyl-3-(oxan-4-ylmethylamino)butane-1-sulfonamide (CID 167291637) is N-(2,2-dimethylpropyl)-3-methyl-3-(oxan-4-ylmethylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-methyl-3-(oxan-4-ylmethylamino)butane-1-sulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-methyl-3-(oxan-4-ylmethylamino)butane-1-sulfonamide is CC(C)(C)CNS(=O)(=O)CCC(C)(C)NCC1CCOCC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-methyl-3-(oxan-4-ylmethylamino)butane-1-sulfonamide?
The InChIKey is ACKNPVXRDDZYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3S/c1-15(2,3)13-18-22(19,20)11-8-16(4,5)17-12-14-6-9-21-10-7-14/h14,17-18H,6-13H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-3-methyl-3-(oxan-4-ylmethylamino)butane-1-sulfonamide?
N-(2,2-dimethylpropyl)-3-methyl-3-(oxan-4-ylmethylamino)butane-1-sulfonamide has a molecular weight of 334.53 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-methyl-3-(oxan-4-ylmethylamino)butane-1-sulfonamide is sourced from PubChem (CID 167291637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).