1-(3-bromopropylsulfonyl)pyrrolidine

C7H14BrNO2S — CID 170985713

IUPAC1-(3-bromopropylsulfonyl)pyrrolidine
SMILESO=S(=O)(CCCBr)N1CCCC1
InChIInChI=1S/C7H14BrNO2S/c8-4-3-7-12(10,11)9-5-1-2-6-9/h1-7H2
InChIKeyDEEVTEVRIGIFBH-UHFFFAOYSA-N
MW256.16 g/mol
LogP1.20
Rot. Bonds4

About 1-(3-bromopropylsulfonyl)pyrrolidine

1-(3-bromopropylsulfonyl)pyrrolidine (PubChem CID 170985713) has the molecular formula C7H14BrNO2S and a molecular weight of 256.16 g/mol. Its IUPAC name is 1-(3-bromopropylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-bromopropylsulfonyl)pyrrolidine
PubChem CID170985713
Molecular FormulaC7H14BrNO2S
Molecular Weight256.16 g/mol
Exact Mass254.99
IUPAC Name1-(3-bromopropylsulfonyl)pyrrolidine
SMILESO=S(=O)(CCCBr)N1CCCC1
InChIInChI=1S/C7H14BrNO2S/c8-4-3-7-12(10,11)9-5-1-2-6-9/h1-7H2
InChIKeyDEEVTEVRIGIFBH-UHFFFAOYSA-N
XLogP1.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine
CID 4599987
4-(azepan-1-ylsulfonyl)butan-1-amine
CID 28704736
methyl 4-(azocan-1-ylsulfonyl)butanoate
CID 54952325
2-(azepan-1-ylsulfonyl)ethanamine
CID 22692377
5-(azepan-1-ylsulfonyl)pentanenitrile
CID 28704816
5-(azepan-1-ylsulfonyl)pentanoyl chloride
CID 28704871
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
CID 90877511
2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride
CID 165475141
1-(2-methylsulfonylethylsulfonyl)azepane
CID 64592112
N,N-diethyl-2-piperidin-1-ylsulfonylethanamine
CID 91417468
N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine
CID 91216623

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropylsulfonyl)pyrrolidine?
The IUPAC name of 1-(3-bromopropylsulfonyl)pyrrolidine (CID 170985713) is 1-(3-bromopropylsulfonyl)pyrrolidine.
What is the SMILES notation for 1-(3-bromopropylsulfonyl)pyrrolidine?
The canonical SMILES for 1-(3-bromopropylsulfonyl)pyrrolidine is O=S(=O)(CCCBr)N1CCCC1.
What is the InChIKey of 1-(3-bromopropylsulfonyl)pyrrolidine?
The InChIKey is DEEVTEVRIGIFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2S/c8-4-3-7-12(10,11)9-5-1-2-6-9/h1-7H2.
What are the key properties of 1-(3-bromopropylsulfonyl)pyrrolidine?
1-(3-bromopropylsulfonyl)pyrrolidine has a molecular weight of 256.16 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropylsulfonyl)pyrrolidine is sourced from PubChem (CID 170985713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).