(3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine

C10H19NOS — CID 94885715

IUPAC(3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine
SMILESC1CSC[C@H](NC[C@H]2CCCO2)C1
InChIInChI=1S/C10H19NOS/c1-4-10(12-5-1)7-11-9-3-2-6-13-8-9/h9-11H,1-8H2/t9-,10-/m1/s1
InChIKeyBOKXQOHNJPPCHH-NXEZZACHSA-N
MW201.33 g/mol
LogP1.65
Rot. Bonds3

About (3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine

(3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine (PubChem CID 94885715) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is (3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine.

Molecular Properties

Compound Name(3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine
PubChem CID94885715
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name(3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine
SMILESC1CSC[C@H](NC[C@H]2CCCO2)C1
InChIInChI=1S/C10H19NOS/c1-4-10(12-5-1)7-11-9-3-2-6-13-8-9/h9-11H,1-8H2/t9-,10-/m1/s1
InChIKeyBOKXQOHNJPPCHH-NXEZZACHSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine
CID 79459503
N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine
CID 115892654
(3S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]thiolan-3-amine
CID 124526824
N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806763
(2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine
CID 97358325
N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855992
3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid
CID 117027700
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
1-ethyl-N-(oxolan-2-ylmethyl)piperidin-3-amine
CID 82836663
N-methyl-1-[(2R)-oxolan-2-yl]methanamine;molecular hydrogen
CID 142806903
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine?
The IUPAC name of (3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine (CID 94885715) is (3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine.
What is the SMILES notation for (3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine?
The canonical SMILES for (3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine is C1CSC[C@H](NC[C@H]2CCCO2)C1.
What is the InChIKey of (3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine?
The InChIKey is BOKXQOHNJPPCHH-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19NOS/c1-4-10(12-5-1)7-11-9-3-2-6-13-8-9/h9-11H,1-8H2/t9-,10-/m1/s1.
What are the key properties of (3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine?
(3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine has a molecular weight of 201.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine is sourced from PubChem (CID 94885715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).