3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine

C11H26N2O2S — CID 115900895

IUPAC3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCS(=O)(=O)CC(C)NC(C)CCN(C)C
InChIInChI=1S/C11H26N2O2S/c1-6-16(14,15)9-11(3)12-10(2)7-8-13(4)5/h10-12H,6-9H2,1-5H3
InChIKeyMADCKOIDCJGRKP-UHFFFAOYSA-N
MW250.41 g/mol
LogP0.74
Rot. Bonds8

About 3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine

3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 115900895) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID115900895
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC Name3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCS(=O)(=O)CC(C)NC(C)CCN(C)C
InChIInChI=1S/C11H26N2O2S/c1-6-16(14,15)9-11(3)12-10(2)7-8-13(4)5/h10-12H,6-9H2,1-5H3
InChIKeyMADCKOIDCJGRKP-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(1-ethylsulfonylpropan-2-ylamino)butan-1-ol
CID 103914395
1-N,1-N-diethyl-4-N-(1-methylsulfonylpropan-2-yl)pentane-1,4-diamine
CID 64629299
3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine
CID 104582088
3-chloro-N-[4-(dimethylamino)butan-2-yl]-2-methylpropane-1-sulfonamide
CID 79585425
2-[4-(dimethylamino)butan-2-ylamino]-3-methylbutanoic acid
CID 103246578
3-N-but-3-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine
CID 104864569
1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine
CID 114992039
N-[4-(dimethylamino)butan-2-yl]-3-(propylamino)propane-1-sulfonamide
CID 106054820
(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol
CID 114987230
N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 115900683
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylpropanamide
CID 62044781

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 115900895) is 3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine is CCS(=O)(=O)CC(C)NC(C)CCN(C)C.
What is the InChIKey of 3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is MADCKOIDCJGRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-6-16(14,15)9-11(3)12-10(2)7-8-13(4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 250.41 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-ethylsulfonylpropan-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 115900895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).