N-(oxan-4-ylmethyl)thiolan-3-amine

C10H19NOS — CID 63725208

IUPACN-(oxan-4-ylmethyl)thiolan-3-amine
SMILESC1CC(CNC2CCSC2)CCO1
InChIInChI=1S/C10H19NOS/c1-4-12-5-2-9(1)7-11-10-3-6-13-8-10/h9-11H,1-8H2
InChIKeyININMWCDANFHFR-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.51
Rot. Bonds3

About N-(oxan-4-ylmethyl)thiolan-3-amine

N-(oxan-4-ylmethyl)thiolan-3-amine (PubChem CID 63725208) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)thiolan-3-amine
PubChem CID63725208
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-(oxan-4-ylmethyl)thiolan-3-amine
SMILESC1CC(CNC2CCSC2)CCO1
InChIInChI=1S/C10H19NOS/c1-4-12-5-2-9(1)7-11-10-3-6-13-8-10/h9-11H,1-8H2
InChIKeyININMWCDANFHFR-UHFFFAOYSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(oxan-4-ylmethyl)thiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methylcyclohexyl)methyl]thiolan-3-amine
CID 63242851
N-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine
CID 115718470
4-[(thiolan-3-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532658
N-(oxan-4-ylmethyl)cyclohexanamine
CID 61269562
N-(oxan-4-ylmethyl)cycloheptanamine
CID 61269563
N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine
CID 115892654
4-methyl-N-(oxan-4-ylmethyl)thiolan-3-amine
CID 130519839
N-(pyrrolidin-3-ylmethyl)thiolan-3-amine
CID 105442353
(3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine
CID 124526824
N-(cycloheptylmethyl)thian-4-amine
CID 115685592
3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine
CID 79461695
N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)thiolan-3-amine?
The IUPAC name of N-(oxan-4-ylmethyl)thiolan-3-amine (CID 63725208) is N-(oxan-4-ylmethyl)thiolan-3-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)thiolan-3-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)thiolan-3-amine is C1CC(CNC2CCSC2)CCO1.
What is the InChIKey of N-(oxan-4-ylmethyl)thiolan-3-amine?
The InChIKey is ININMWCDANFHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-4-12-5-2-9(1)7-11-10-3-6-13-8-10/h9-11H,1-8H2.
What are the key properties of N-(oxan-4-ylmethyl)thiolan-3-amine?
N-(oxan-4-ylmethyl)thiolan-3-amine has a molecular weight of 201.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 63725208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).