N-propan-2-yl-N-(thietan-3-ylmethyl)propan-1-amine

C10H21NS — CID 167009165

IUPACN-propan-2-yl-N-(thietan-3-ylmethyl)propan-1-amine
SMILESCCCN(CC1CSC1)C(C)C
InChIInChI=1S/C10H21NS/c1-4-5-11(9(2)3)6-10-7-12-8-10/h9-10H,4-8H2,1-3H3
InChIKeyKOUHKSDVWJUXTL-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.47
Rot. Bonds5

About N-propan-2-yl-N-(thietan-3-ylmethyl)propan-1-amine

N-propan-2-yl-N-(thietan-3-ylmethyl)propan-1-amine (PubChem CID 167009165) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-propan-2-yl-N-(thietan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(thietan-3-ylmethyl)propan-1-amine
PubChem CID167009165
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-propan-2-yl-N-(thietan-3-ylmethyl)propan-1-amine
SMILESCCCN(CC1CSC1)C(C)C
InChIInChI=1S/C10H21NS/c1-4-5-11(9(2)3)6-10-7-12-8-10/h9-10H,4-8H2,1-3H3
InChIKeyKOUHKSDVWJUXTL-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 22975534
CID 22975534
CID 22975535
CID 22975535
CID 23381578
CID 23381578
CID 88529246
CID 88529246
CID 89248913
CID 89248913
CID 89761774
CID 89761774
CID 90030249
CID 90030249
CID 91396101
CID 91396101
CID 117627931
CID 117627931
CID 117957404
CID 117957404
CID 122414293
CID 122414293
CID 122414296
CID 122414296

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(thietan-3-ylmethyl)propan-1-amine?
The IUPAC name of N-propan-2-yl-N-(thietan-3-ylmethyl)propan-1-amine (CID 167009165) is N-propan-2-yl-N-(thietan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-propan-2-yl-N-(thietan-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-propan-2-yl-N-(thietan-3-ylmethyl)propan-1-amine is CCCN(CC1CSC1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(thietan-3-ylmethyl)propan-1-amine?
The InChIKey is KOUHKSDVWJUXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-5-11(9(2)3)6-10-7-12-8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of N-propan-2-yl-N-(thietan-3-ylmethyl)propan-1-amine?
N-propan-2-yl-N-(thietan-3-ylmethyl)propan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(thietan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 167009165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).