N-cyclopropyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine

C10H20N2S — CID 173364796

IUPACN-cyclopropyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine
SMILESCCSCC1CNCC1NC1CC1
InChIInChI=1S/C10H20N2S/c1-2-13-7-8-5-11-6-10(8)12-9-3-4-9/h8-12H,2-7H2,1H3
InChIKeySGGNBVIOYJIMCU-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.08
Rot. Bonds5

About N-cyclopropyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine

N-cyclopropyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine (PubChem CID 173364796) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-cyclopropyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine
PubChem CID173364796
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-cyclopropyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine
SMILESCCSCC1CNCC1NC1CC1
InChIInChI=1S/C10H20N2S/c1-2-13-7-8-5-11-6-10(8)12-9-3-4-9/h8-12H,2-7H2,1H3
InChIKeySGGNBVIOYJIMCU-UHFFFAOYSA-N
XLogP1.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine?
The IUPAC name of N-cyclopropyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine (CID 173364796) is N-cyclopropyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-cyclopropyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine?
The canonical SMILES for N-cyclopropyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine is CCSCC1CNCC1NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine?
The InChIKey is SGGNBVIOYJIMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-2-13-7-8-5-11-6-10(8)12-9-3-4-9/h8-12H,2-7H2,1H3.
What are the key properties of N-cyclopropyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine?
N-cyclopropyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine has a molecular weight of 200.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 173364796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).