2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide

C14H28N2OS — CID 119530954

IUPAC2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCCSC(C)C(=O)N(CCC)C1CCNC1
InChIInChI=1S/C14H28N2OS/c1-4-6-10-18-12(3)14(17)16(9-5-2)13-7-8-15-11-13/h12-13,15H,4-11H2,1-3H3
InChIKeyUJNDUNNTCOOEFE-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.51
Rot. Bonds8

About 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide

2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 119530954) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide
PubChem CID119530954
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCCSC(C)C(=O)N(CCC)C1CCNC1
InChIInChI=1S/C14H28N2OS/c1-4-6-10-18-12(3)14(17)16(9-5-2)13-7-8-15-11-13/h12-13,15H,4-11H2,1-3H3
InChIKeyUJNDUNNTCOOEFE-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.51
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

2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530953
2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530341
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
2-(4-methoxyphenyl)sulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529909
3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530419
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
2-[2-butylsulfanylpropanoyl(cyclopropyl)amino]acetic acid
CID 119194852
2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride
CID 119530614
5-methoxy-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119531804
3-ethyl-4-methyl-N-propyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119530049
3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530613
N'-propyl-N'-pyrrolidin-3-ylpropanediamide
CID 119533204

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide (CID 119530954) is 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide is CCCCSC(C)C(=O)N(CCC)C1CCNC1.
What is the InChIKey of 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is UJNDUNNTCOOEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-4-6-10-18-12(3)14(17)16(9-5-2)13-7-8-15-11-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide?
2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 272.46 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119530954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).