N-(3-aminopropyl)-2-methylbutane-1-sulfonamide

C8H20N2O2S — CID 91659838

IUPACN-(3-aminopropyl)-2-methylbutane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)NCCCN
InChIInChI=1S/C8H20N2O2S/c1-3-8(2)7-13(11,12)10-6-4-5-9/h8,10H,3-7,9H2,1-2H3
InChIKeyDYHDSSSPQVNZFB-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.30
Rot. Bonds7

About N-(3-aminopropyl)-2-methylbutane-1-sulfonamide

N-(3-aminopropyl)-2-methylbutane-1-sulfonamide (PubChem CID 91659838) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methylbutane-1-sulfonamide
PubChem CID91659838
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-(3-aminopropyl)-2-methylbutane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)NCCCN
InChIInChI=1S/C8H20N2O2S/c1-3-8(2)7-13(11,12)10-6-4-5-9/h8,10H,3-7,9H2,1-2H3
InChIKeyDYHDSSSPQVNZFB-UHFFFAOYSA-N
XLogP0.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methylbutane-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-2-methylbutane-1-sulfonamide (CID 91659838) is N-(3-aminopropyl)-2-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methylbutane-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2-methylbutane-1-sulfonamide is CCC(C)CS(=O)(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2-methylbutane-1-sulfonamide?
The InChIKey is DYHDSSSPQVNZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-3-8(2)7-13(11,12)10-6-4-5-9/h8,10H,3-7,9H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2-methylbutane-1-sulfonamide?
N-(3-aminopropyl)-2-methylbutane-1-sulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methylbutane-1-sulfonamide is sourced from PubChem (CID 91659838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).