1-amino-4,4-dimethyl-3-(sulfamoylamino)pentane

C7H19N3O2S — CID 106357456

IUPAC1-amino-4,4-dimethyl-3-(sulfamoylamino)pentane
SMILESCC(C)(C)C(CCN)NS(N)(=O)=O
InChIInChI=1S/C7H19N3O2S/c1-7(2,3)6(4-5-8)10-13(9,11)12/h6,10H,4-5,8H2,1-3H3,(H2,9,11,12)
InChIKeyAZRUPGRTRHUKIJ-UHFFFAOYSA-N
MW209.31 g/mol
LogP-0.46
Rot. Bonds4

About 1-amino-4,4-dimethyl-3-(sulfamoylamino)pentane

1-amino-4,4-dimethyl-3-(sulfamoylamino)pentane (PubChem CID 106357456) has the molecular formula C7H19N3O2S and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-amino-4,4-dimethyl-3-(sulfamoylamino)pentane.

Molecular Properties

Compound Name1-amino-4,4-dimethyl-3-(sulfamoylamino)pentane
PubChem CID106357456
Molecular FormulaC7H19N3O2S
Molecular Weight209.31 g/mol
Exact Mass209.12
IUPAC Name1-amino-4,4-dimethyl-3-(sulfamoylamino)pentane
SMILESCC(C)(C)C(CCN)NS(N)(=O)=O
InChIInChI=1S/C7H19N3O2S/c1-7(2,3)6(4-5-8)10-13(9,11)12/h6,10H,4-5,8H2,1-3H3,(H2,9,11,12)
InChIKeyAZRUPGRTRHUKIJ-UHFFFAOYSA-N
XLogP-0.46
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4,4-dimethyl-3-(sulfamoylamino)pentane?
The IUPAC name of 1-amino-4,4-dimethyl-3-(sulfamoylamino)pentane (CID 106357456) is 1-amino-4,4-dimethyl-3-(sulfamoylamino)pentane.
What is the SMILES notation for 1-amino-4,4-dimethyl-3-(sulfamoylamino)pentane?
The canonical SMILES for 1-amino-4,4-dimethyl-3-(sulfamoylamino)pentane is CC(C)(C)C(CCN)NS(N)(=O)=O.
What is the InChIKey of 1-amino-4,4-dimethyl-3-(sulfamoylamino)pentane?
The InChIKey is AZRUPGRTRHUKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O2S/c1-7(2,3)6(4-5-8)10-13(9,11)12/h6,10H,4-5,8H2,1-3H3,(H2,9,11,12).
What are the key properties of 1-amino-4,4-dimethyl-3-(sulfamoylamino)pentane?
1-amino-4,4-dimethyl-3-(sulfamoylamino)pentane has a molecular weight of 209.31 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,4-dimethyl-3-(sulfamoylamino)pentane is sourced from PubChem (CID 106357456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).