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

C14H29ClN2OS — CID 119530953

IUPAC2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCCCSC(C)C(=O)N(CCC)C1CCNC1.Cl
InChIInChI=1S/C14H28N2OS.ClH/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;1H
InChIKeyBPGMBXOKJYZJKV-UHFFFAOYSA-N
MW308.92 g/mol
LogP2.93
Rot. Bonds8

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

2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119530953) has the molecular formula C14H29ClN2OS and a molecular weight of 308.92 g/mol. Its IUPAC name is 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119530953
Molecular FormulaC14H29ClN2OS
Molecular Weight308.92 g/mol
Exact Mass308.17
IUPAC Name2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCCCCSC(C)C(=O)N(CCC)C1CCNC1.Cl
InChIInChI=1S/C14H28N2OS.ClH/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;1H
InChIKeyBPGMBXOKJYZJKV-UHFFFAOYSA-N
XLogP2.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.92
LogP ≤ 52.93
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
CID 119530954
2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530341
2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride
CID 119530614
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-ethyl-4-methyl-N-propyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119530049
2-[2-butylsulfanylpropanoyl(cyclopropyl)amino]acetic acid
CID 119194852
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
N-piperidin-4-yl-N-propyl-2-propylsulfanylacetamide;hydrochloride
CID 119824316
2-(2-ethoxyethoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530470
5-methoxy-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119531804

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119530953) is 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is CCCCSC(C)C(=O)N(CCC)C1CCNC1.Cl.
What is the InChIKey of 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is BPGMBXOKJYZJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS.ClH/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;1H.
What are the key properties of 2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 308.92 g/mol, XLogP of 2.93, 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;hydrochloride is sourced from PubChem (CID 119530953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).