N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine

C12H24N2S — CID 82915861

IUPACN-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CC1)CC1CSCCN1
InChIInChI=1S/C12H24N2S/c1-10(2)14(7-11-3-4-11)8-12-9-15-6-5-13-12/h10-13H,3-9H2,1-2H3
InChIKeyAVZRFLMRPKTMIX-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.81
Rot. Bonds5

About N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine

N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine (PubChem CID 82915861) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine
PubChem CID82915861
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CC1)CC1CSCCN1
InChIInChI=1S/C12H24N2S/c1-10(2)14(7-11-3-4-11)8-12-9-15-6-5-13-12/h10-13H,3-9H2,1-2H3
InChIKeyAVZRFLMRPKTMIX-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine (CID 82915861) is N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine is CC(C)N(CC1CC1)CC1CSCCN1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine?
The InChIKey is AVZRFLMRPKTMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-10(2)14(7-11-3-4-11)8-12-9-15-6-5-13-12/h10-13H,3-9H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine?
N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine has a molecular weight of 228.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 82915861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).