N-propylsulfanylpyrrolidin-3-amine

C7H16N2S — CID 143248486

IUPACN-propylsulfanylpyrrolidin-3-amine
SMILESCCCSNC1CCNC1
InChIInChI=1S/C7H16N2S/c1-2-5-10-9-7-3-4-8-6-7/h7-9H,2-6H2,1H3
InChIKeyCCHLRMGHZDSGRB-UHFFFAOYSA-N
MW160.29 g/mol
LogP1.00
Rot. Bonds4

About N-propylsulfanylpyrrolidin-3-amine

N-propylsulfanylpyrrolidin-3-amine (PubChem CID 143248486) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is N-propylsulfanylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-propylsulfanylpyrrolidin-3-amine
PubChem CID143248486
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC NameN-propylsulfanylpyrrolidin-3-amine
SMILESCCCSNC1CCNC1
InChIInChI=1S/C7H16N2S/c1-2-5-10-9-7-3-4-8-6-7/h7-9H,2-6H2,1H3
InChIKeyCCHLRMGHZDSGRB-UHFFFAOYSA-N
XLogP1.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-butylpyrrolidin-3-amine
CID 154470800
(3R)-3-propylsulfanylpyrrolidine
CID 89159387
4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide;N-propylsulfanylpyrrolidin-3-amine
CID 143248485
N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 50988223
3-butylsulfanyl-N-pyrrolidin-3-ylpropanamide
CID 119454357
N-(2-methylhexan-2-yl)pyrrolidin-3-amine
CID 139362773
N-pyrrolidin-3-ylpropanamide
CID 18337238
N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 79684935
propane;N-pyrrolidin-3-ylmethanesulfonamide
CID 143474568
N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine
CID 84660689
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
N-[(3S)-pyrrolidin-3-yl]decanamide
CID 79688087

Frequently Asked Questions

What is the IUPAC name of N-propylsulfanylpyrrolidin-3-amine?
The IUPAC name of N-propylsulfanylpyrrolidin-3-amine (CID 143248486) is N-propylsulfanylpyrrolidin-3-amine.
What is the SMILES notation for N-propylsulfanylpyrrolidin-3-amine?
The canonical SMILES for N-propylsulfanylpyrrolidin-3-amine is CCCSNC1CCNC1.
What is the InChIKey of N-propylsulfanylpyrrolidin-3-amine?
The InChIKey is CCHLRMGHZDSGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-2-5-10-9-7-3-4-8-6-7/h7-9H,2-6H2,1H3.
What are the key properties of N-propylsulfanylpyrrolidin-3-amine?
N-propylsulfanylpyrrolidin-3-amine has a molecular weight of 160.29 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylsulfanylpyrrolidin-3-amine is sourced from PubChem (CID 143248486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).