N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine

C14H20ClNOS — CID 54981472

IUPACN-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine
SMILESCC(Cc1cccc(Cl)c1)NC1CCS(=O)CC1
InChIInChI=1S/C14H20ClNOS/c1-11(9-12-3-2-4-13(15)10-12)16-14-5-7-18(17)8-6-14/h2-4,10-11,14,16H,5-9H2,1H3
InChIKeyCVPODZQRODJFOO-UHFFFAOYSA-N
MW285.84 g/mol
LogP2.77
Rot. Bonds4

About N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine

N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine (PubChem CID 54981472) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine
PubChem CID54981472
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC NameN-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine
SMILESCC(Cc1cccc(Cl)c1)NC1CCS(=O)CC1
InChIInChI=1S/C14H20ClNOS/c1-11(9-12-3-2-4-13(15)10-12)16-14-5-7-18(17)8-6-14/h2-4,10-11,14,16H,5-9H2,1H3
InChIKeyCVPODZQRODJFOO-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propan-2-yl]cyclopentanamine
CID 43694776
N-[1-(3-fluorophenyl)propan-2-yl]-1-oxothian-4-amine
CID 114830841
4-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79724820
N-[1-(3-chlorophenyl)propan-2-yl]oxepan-4-amine
CID 65081836
N-[1-(3-chlorophenyl)propan-2-yl]thiolan-3-amine
CID 43694783
N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80705084
1-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexane-1,3-diamine
CID 79459034
N-[1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115713569
N-[1-(3-chlorophenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
CID 79860721
2-tert-butyl-N-[1-(3-chlorophenyl)propan-2-yl]cyclohexan-1-amine
CID 43694786
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
N-[1-(3-bromophenyl)propan-2-yl]cyclopentanamine
CID 82262667

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine (CID 54981472) is N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine is CC(Cc1cccc(Cl)c1)NC1CCS(=O)CC1.
What is the InChIKey of N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine?
The InChIKey is CVPODZQRODJFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-11(9-12-3-2-4-13(15)10-12)16-14-5-7-18(17)8-6-14/h2-4,10-11,14,16H,5-9H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine?
N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine has a molecular weight of 285.84 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propan-2-yl]-1-oxothian-4-amine is sourced from PubChem (CID 54981472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).