N-propan-2-ylthian-4-amine

C8H17NS — CID 43394807

IUPACN-propan-2-ylthian-4-amine
SMILESCC(C)NC1CCSCC1
InChIInChI=1S/C8H17NS/c1-7(2)9-8-3-5-10-6-4-8/h7-9H,3-6H2,1-2H3
InChIKeyHNCRKNXOONFRMT-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.88
Rot. Bonds2

About N-propan-2-ylthian-4-amine

N-propan-2-ylthian-4-amine (PubChem CID 43394807) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-propan-2-ylthian-4-amine.

Molecular Properties

Compound NameN-propan-2-ylthian-4-amine
PubChem CID43394807
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-propan-2-ylthian-4-amine
SMILESCC(C)NC1CCSCC1
InChIInChI=1S/C8H17NS/c1-7(2)9-8-3-5-10-6-4-8/h7-9H,3-6H2,1-2H3
InChIKeyHNCRKNXOONFRMT-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylthian-4-amine?
The IUPAC name of N-propan-2-ylthian-4-amine (CID 43394807) is N-propan-2-ylthian-4-amine.
What is the SMILES notation for N-propan-2-ylthian-4-amine?
The canonical SMILES for N-propan-2-ylthian-4-amine is CC(C)NC1CCSCC1.
What is the InChIKey of N-propan-2-ylthian-4-amine?
The InChIKey is HNCRKNXOONFRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)9-8-3-5-10-6-4-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-propan-2-ylthian-4-amine?
N-propan-2-ylthian-4-amine has a molecular weight of 159.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylthian-4-amine is sourced from PubChem (CID 43394807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).