N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide

C12H29N3O2S — CID 54973937

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C12H29N3O2S/c1-11(2)13-7-8-18(16,17)14-9-12(3,4)10-15(5)6/h11,13-14H,7-10H2,1-6H3
InChIKeyAXFAYPMKXLBZFL-UHFFFAOYSA-N
MW279.45 g/mol
LogP0.49
Rot. Bonds9

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 54973937) has the molecular formula C12H29N3O2S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID54973937
Molecular FormulaC12H29N3O2S
Molecular Weight279.45 g/mol
Exact Mass279.20
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C12H29N3O2S/c1-11(2)13-7-8-18(16,17)14-9-12(3,4)10-15(5)6/h11,13-14H,7-10H2,1-6H3
InChIKeyAXFAYPMKXLBZFL-UHFFFAOYSA-N
XLogP0.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 104762864
4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide
CID 106057650
N-[3-(dimethylamino)propyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974106
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide
CID 71911079
1-(2-aminophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]methanesulfonamide
CID 62020518
4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 2096189
4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 4264715
N-(2-methylsulfonylethyl)propan-2-amine
CID 60708370
N-[2-(dimethylamino)propyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114137556
N-(2,2-dimethylbutyl)propane-1-sulfonamide
CID 103465142
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanamide
CID 43086297
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-dimethylbenzenesulfonamide
CID 4790001

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide (CID 54973937) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide is CC(C)NCCS(=O)(=O)NCC(C)(C)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is AXFAYPMKXLBZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O2S/c1-11(2)13-7-8-18(16,17)14-9-12(3,4)10-15(5)6/h11,13-14H,7-10H2,1-6H3.
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 279.45 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 54973937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).