(2R)-1-[(1-oxothiolan-1-ylidene)amino]propan-2-amine

C7H16N2OS — CID 131219445

IUPAC(2R)-1-[(1-oxothiolan-1-ylidene)amino]propan-2-amine
SMILESC[C@@H](N)CN=S1(=O)CCCC1
InChIInChI=1S/C7H16N2OS/c1-7(8)6-9-11(10)4-2-3-5-11/h7H,2-6,8H2,1H3/t7-/m1/s1
InChIKeyHYSCWPJLLKHNLZ-SSDOTTSWSA-N
MW176.28 g/mol
LogP0.60
Rot. Bonds2

About (2R)-1-[(1-oxothiolan-1-ylidene)amino]propan-2-amine

(2R)-1-[(1-oxothiolan-1-ylidene)amino]propan-2-amine (PubChem CID 131219445) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is (2R)-1-[(1-oxothiolan-1-ylidene)amino]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(1-oxothiolan-1-ylidene)amino]propan-2-amine
PubChem CID131219445
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name(2R)-1-[(1-oxothiolan-1-ylidene)amino]propan-2-amine
SMILESC[C@@H](N)CN=S1(=O)CCCC1
InChIInChI=1S/C7H16N2OS/c1-7(8)6-9-11(10)4-2-3-5-11/h7H,2-6,8H2,1H3/t7-/m1/s1
InChIKeyHYSCWPJLLKHNLZ-SSDOTTSWSA-N
XLogP0.60
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-1lambda4-thiolan-1-one hydrochloride
CID 54595889
3,4-Thiophenediamine, tetrahydro-, 1,1-dioxide
CID 3091618
3-Amino-1-imino-1lambda6-thiolan-1-one
CID 153214758
1-Imino-3-(methylamino)-1lambda6-thiolan-1-one
CID 131258374
(3S,4S)-1,1-dioxothiolane-3,4-diamine
CID 2049142
(3S,4R)-1,1-dioxothiolane-3,4-diamine
CID 2049144
(3R,4R)-1,1-dioxothiolane-3,4-diamine
CID 2772262
3-Amino-1lambda4-thiolan-1-one
CID 54595890
1-Methylidene-1-oxothiolan-3-amine
CID 58127120
2-Methyl-1-oxothiolan-3-amine
CID 59657873
5-Methyl-1-oxothiolan-3-amine
CID 59657944
(3S)-1-oxothiolan-3-amine
CID 68100101

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1-oxothiolan-1-ylidene)amino]propan-2-amine?
The IUPAC name of (2R)-1-[(1-oxothiolan-1-ylidene)amino]propan-2-amine (CID 131219445) is (2R)-1-[(1-oxothiolan-1-ylidene)amino]propan-2-amine.
What is the SMILES notation for (2R)-1-[(1-oxothiolan-1-ylidene)amino]propan-2-amine?
The canonical SMILES for (2R)-1-[(1-oxothiolan-1-ylidene)amino]propan-2-amine is C[C@@H](N)CN=S1(=O)CCCC1.
What is the InChIKey of (2R)-1-[(1-oxothiolan-1-ylidene)amino]propan-2-amine?
The InChIKey is HYSCWPJLLKHNLZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-7(8)6-9-11(10)4-2-3-5-11/h7H,2-6,8H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-[(1-oxothiolan-1-ylidene)amino]propan-2-amine?
(2R)-1-[(1-oxothiolan-1-ylidene)amino]propan-2-amine has a molecular weight of 176.28 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-oxothiolan-1-ylidene)amino]propan-2-amine is sourced from PubChem (CID 131219445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).