N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide

C12H24N2O3S — CID 164633043

IUPACN-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCCCC[C@H]1CCCO1)N1CCCC1
InChIInChI=1S/C12H24N2O3S/c15-18(16,14-9-3-4-10-14)13-8-2-1-6-12-7-5-11-17-12/h12-13H,1-11H2/t12-/m0/s1
InChIKeyDYMIYZHKCSCMQB-LBPRGKRZSA-N
MW276.40 g/mol
LogP1.27
Rot. Bonds7

About N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide

N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide (PubChem CID 164633043) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide
PubChem CID164633043
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCCCC[C@H]1CCCO1)N1CCCC1
InChIInChI=1S/C12H24N2O3S/c15-18(16,14-9-3-4-10-14)13-8-2-1-6-12-7-5-11-17-12/h12-13H,1-11H2/t12-/m0/s1
InChIKeyDYMIYZHKCSCMQB-LBPRGKRZSA-N
XLogP1.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide
CID 94171929
N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide
CID 61254669
3-(methylaminomethyl)-N-[2-(oxan-2-yl)ethyl]piperidine-1-sulfonamide
CID 106094390
N-[2-[(2R)-oxolan-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 95150814
N-(6-aminohexyl)piperidine-1-sulfonamide
CID 114008123
N-(3-chloropropyl)piperidine-1-sulfonamide
CID 43133782
1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide
CID 131913148
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid
CID 28783630
1-methylsulfonyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine
CID 65163671
N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284
N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide
CID 131929466

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide (CID 164633043) is N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide is O=S(=O)(NCCCC[C@H]1CCCO1)N1CCCC1.
What is the InChIKey of N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide?
The InChIKey is DYMIYZHKCSCMQB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H24N2O3S/c15-18(16,14-9-3-4-10-14)13-8-2-1-6-12-7-5-11-17-12/h12-13H,1-11H2/t12-/m0/s1.
What are the key properties of N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide?
N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 164633043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).