1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane

C8H21N3O2S — CID 112689006

IUPAC1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane
SMILESCC(C)CC(CN(C)C)NS(N)(=O)=O
InChIInChI=1S/C8H21N3O2S/c1-7(2)5-8(6-11(3)4)10-14(9,12)13/h7-8,10H,5-6H2,1-4H3,(H2,9,12,13)
InChIKeyHXBNERVNSBVAER-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.24
Rot. Bonds6

About 1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane

1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane (PubChem CID 112689006) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane.

Molecular Properties

Compound Name1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane
PubChem CID112689006
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC Name1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane
SMILESCC(C)CC(CN(C)C)NS(N)(=O)=O
InChIInChI=1S/C8H21N3O2S/c1-7(2)5-8(6-11(3)4)10-14(9,12)13/h7-8,10H,5-6H2,1-4H3,(H2,9,12,13)
InChIKeyHXBNERVNSBVAER-UHFFFAOYSA-N
XLogP-0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide
CID 106010670
[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 61059405
2-N-(3-ethylsulfonylpropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 65093049
N-[1-(dimethylamino)-4-methylpentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61273722
N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 91662015
(3S)-2,2,5-trimethyl-3-(sulfamoylamino)hexane
CID 97215224
N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106010442
3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride
CID 120503128
1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine
CID 62140508
1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine
CID 43792413
3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 43695730
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide
CID 99858952

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane?
The IUPAC name of 1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane (CID 112689006) is 1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane.
What is the SMILES notation for 1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane?
The canonical SMILES for 1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane is CC(C)CC(CN(C)C)NS(N)(=O)=O.
What is the InChIKey of 1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane?
The InChIKey is HXBNERVNSBVAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S/c1-7(2)5-8(6-11(3)4)10-14(9,12)13/h7-8,10H,5-6H2,1-4H3,(H2,9,12,13).
What are the key properties of 1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane?
1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane has a molecular weight of 223.34 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane is sourced from PubChem (CID 112689006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).