N-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide

C11H24BrNO2S — CID 80672142

IUPACN-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)N(CCCBr)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C11H24BrNO2S/c1-10(2)13(8-6-7-12)16(14,15)9-11(3,4)5/h10H,6-9H2,1-5H3
InChIKeyIMFSAVNXENYQIU-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.86
Rot. Bonds6

About N-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide

N-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 80672142) has the molecular formula C11H24BrNO2S and a molecular weight of 314.29 g/mol. Its IUPAC name is N-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide
PubChem CID80672142
Molecular FormulaC11H24BrNO2S
Molecular Weight314.29 g/mol
Exact Mass313.07
IUPAC NameN-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)N(CCCBr)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C11H24BrNO2S/c1-10(2)13(8-6-7-12)16(14,15)9-11(3,4)5/h10H,6-9H2,1-5H3
InChIKeyIMFSAVNXENYQIU-UHFFFAOYSA-N
XLogP2.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of N-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide (CID 80672142) is N-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for N-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide is CC(C)N(CCCBr)S(=O)(=O)CC(C)(C)C.
What is the InChIKey of N-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is IMFSAVNXENYQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNO2S/c1-10(2)13(8-6-7-12)16(14,15)9-11(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of N-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide?
N-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 314.29 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 80672142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).