3-methyl-1-N-[3-methyl-2-(sulfonylamino)butyl]butane-1,2-diamine

C10H23N3O2S — CID 142660514

IUPAC3-methyl-1-N-[3-methyl-2-(sulfonylamino)butyl]butane-1,2-diamine
SMILESCC(C)C(N)CNCC(N=S(=O)=O)C(C)C
InChIInChI=1S/C10H23N3O2S/c1-7(2)9(11)5-12-6-10(8(3)4)13-16(14)15/h7-10,12H,5-6,11H2,1-4H3
InChIKeyHAYJYOPKNAYUCH-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.65
Rot. Bonds7

About 3-methyl-1-N-[3-methyl-2-(sulfonylamino)butyl]butane-1,2-diamine

3-methyl-1-N-[3-methyl-2-(sulfonylamino)butyl]butane-1,2-diamine (PubChem CID 142660514) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-methyl-1-N-[3-methyl-2-(sulfonylamino)butyl]butane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-1-N-[3-methyl-2-(sulfonylamino)butyl]butane-1,2-diamine
PubChem CID142660514
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name3-methyl-1-N-[3-methyl-2-(sulfonylamino)butyl]butane-1,2-diamine
SMILESCC(C)C(N)CNCC(N=S(=O)=O)C(C)C
InChIInChI=1S/C10H23N3O2S/c1-7(2)9(11)5-12-6-10(8(3)4)13-16(14)15/h7-10,12H,5-6,11H2,1-4H3
InChIKeyHAYJYOPKNAYUCH-UHFFFAOYSA-N
XLogP0.65
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5S)-1-methylsulfonyl-2,5-di(propan-2-yl)piperazine
CID 94989971
3-methyl-2-N-propan-2-ylbutane-1,2-diamine
CID 20813766
N-(2-methylbutyl)-N'-propan-2-ylethane-1,2-diamine
CID 20978763
N-[2-(3-methylbutylamino)ethyl]methanesulfonamide
CID 28731733
N-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide
CID 28731973
N,N-dimethyl-3-propan-2-ylpiperazin-1-ium-1-sulfonamide chloride
CID 57276779
N-methyl-N-[2-(3-methylbutylamino)ethyl]methanesulfonamide
CID 57733817
(4R)-2-(2-methylpropyl)-4-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
CID 57765394
(4S)-2-(2-methylpropyl)-4-propan-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
CID 57765449
3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 57898303
N-(3-methylbutyl)-N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
CID 58600087
(2S)-1-N-(dimethylsulfamoyl)-1-N,3,3-trimethylbutane-1,2-diamine
CID 58821412

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-[3-methyl-2-(sulfonylamino)butyl]butane-1,2-diamine?
The IUPAC name of 3-methyl-1-N-[3-methyl-2-(sulfonylamino)butyl]butane-1,2-diamine (CID 142660514) is 3-methyl-1-N-[3-methyl-2-(sulfonylamino)butyl]butane-1,2-diamine.
What is the SMILES notation for 3-methyl-1-N-[3-methyl-2-(sulfonylamino)butyl]butane-1,2-diamine?
The canonical SMILES for 3-methyl-1-N-[3-methyl-2-(sulfonylamino)butyl]butane-1,2-diamine is CC(C)C(N)CNCC(N=S(=O)=O)C(C)C.
What is the InChIKey of 3-methyl-1-N-[3-methyl-2-(sulfonylamino)butyl]butane-1,2-diamine?
The InChIKey is HAYJYOPKNAYUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-7(2)9(11)5-12-6-10(8(3)4)13-16(14)15/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of 3-methyl-1-N-[3-methyl-2-(sulfonylamino)butyl]butane-1,2-diamine?
3-methyl-1-N-[3-methyl-2-(sulfonylamino)butyl]butane-1,2-diamine has a molecular weight of 249.38 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-[3-methyl-2-(sulfonylamino)butyl]butane-1,2-diamine is sourced from PubChem (CID 142660514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).